AC1LYTE5 structure

AC1LYTE5

7-(3-methylphenyl)-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one

Also Known As: 1-(allylthio)-4-(m-tolyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|4-(3-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

CAS: 384359-75-5
Molecular Formula C21H20N4OS2
Molecular Weight 408.10785 g/mol
LogP 4.56022
Topological Polar Surface Area 52.19 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 408.10785
Monoisotopic Mass 408.10785
Heavy Atoms 28
Complexity 1281.2716

Chemical Identifiers

CAS Number 384359-75-5
SMILES CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCCC5

Product Overview

AC1LYTE5 (CAS 384359-75-5), with molecular formula C21H20N4OS2 and molecular weight 408.10785 g/mol. IUPAC: 7-(3-methylphenyl)-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.

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